2-methyl-1-methylsulfinylbenzo[e][1]benzofuran

C14H12O2S — CID 86100625

IUPAC2-methyl-1-methylsulfinylbenzo[e][1]benzofuran
SMILESCc1oc2ccc3ccccc3c2c1S(C)=O
InChIInChI=1S/C14H12O2S/c1-9-14(17(2)15)13-11-6-4-3-5-10(11)7-8-12(13)16-9/h3-8H,1-2H3
InChIKeyAHLVPAKOGKMJBT-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.63
Rot. Bonds1

About 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran

2-methyl-1-methylsulfinylbenzo[e][1]benzofuran (PubChem CID 86100625) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name2-methyl-1-methylsulfinylbenzo[e][1]benzofuran
PubChem CID86100625
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name2-methyl-1-methylsulfinylbenzo[e][1]benzofuran
SMILESCc1oc2ccc3ccccc3c2c1S(C)=O
InChIInChI=1S/C14H12O2S/c1-9-14(17(2)15)13-11-6-4-3-5-10(11)7-8-12(13)16-9/h3-8H,1-2H3
InChIKeyAHLVPAKOGKMJBT-UHFFFAOYSA-N
XLogP3.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran
CID 139071712
1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran
CID 102518154
9-methylsulfinylanthracene
CID 10847646
1-methylbenzo[e][1]benzofuran
CID 13085655
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
CID 134365271
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
2-methylbenzo[e][1,2]benzoxazol-1-one
CID 11412966
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
13-methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11457340
17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione
CID 101479276
11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 164966033
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran?
The IUPAC name of 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran (CID 86100625) is 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran.
What is the SMILES notation for 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran?
The canonical SMILES for 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran is Cc1oc2ccc3ccccc3c2c1S(C)=O.
What is the InChIKey of 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran?
The InChIKey is AHLVPAKOGKMJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-9-14(17(2)15)13-11-6-4-3-5-10(11)7-8-12(13)16-9/h3-8H,1-2H3.
What are the key properties of 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran?
2-methyl-1-methylsulfinylbenzo[e][1]benzofuran has a molecular weight of 244.31 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfinylbenzo[e][1]benzofuran is sourced from PubChem (CID 86100625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).